5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole

C18H20N4O2 — CID 70740797

IUPAC5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H20N4O2/c1-12-15(13(2)23-20-12)11-22-10-6-9-16(22)18-19-17(21-24-18)14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-11H2,1-2H3
InChIKeyBWJORGHJOLPESC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.68
Rot. Bonds4

About 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 70740797) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID70740797
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H20N4O2/c1-12-15(13(2)23-20-12)11-22-10-6-9-16(22)18-19-17(21-24-18)14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-11H2,1-2H3
InChIKeyBWJORGHJOLPESC-UHFFFAOYSA-N
XLogP3.68
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 70740797) is 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole is Cc1noc(C)c1CN1CCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is BWJORGHJOLPESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-15(13(2)23-20-12)11-22-10-6-9-16(22)18-19-17(21-24-18)14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-11H2,1-2H3.
What are the key properties of 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 70740797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).